N-(5-hydroxypentyl)-2-methyl-N-prop-2-enylprop-2-enamide

C12H21NO2 — CID 135140587

IUPACN-(5-hydroxypentyl)-2-methyl-N-prop-2-enylprop-2-enamide
SMILESC=CCN(CCCCCO)C(=O)C(=C)C
InChIInChI=1S/C12H21NO2/c1-4-8-13(12(15)11(2)3)9-6-5-7-10-14/h4,14H,1-2,5-10H2,3H3
InChIKeyFFWHXRAKUGTANR-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.74
Rot. Bonds8

About N-(5-hydroxypentyl)-2-methyl-N-prop-2-enylprop-2-enamide

N-(5-hydroxypentyl)-2-methyl-N-prop-2-enylprop-2-enamide (PubChem CID 135140587) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-2-methyl-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-2-methyl-N-prop-2-enylprop-2-enamide
PubChem CID135140587
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-(5-hydroxypentyl)-2-methyl-N-prop-2-enylprop-2-enamide
SMILESC=CCN(CCCCCO)C(=O)C(=C)C
InChIInChI=1S/C12H21NO2/c1-4-8-13(12(15)11(2)3)9-6-5-7-10-14/h4,14H,1-2,5-10H2,3H3
InChIKeyFFWHXRAKUGTANR-UHFFFAOYSA-N
XLogP1.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-2-methyl-N-prop-2-enylprop-2-enamide?
The IUPAC name of N-(5-hydroxypentyl)-2-methyl-N-prop-2-enylprop-2-enamide (CID 135140587) is N-(5-hydroxypentyl)-2-methyl-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for N-(5-hydroxypentyl)-2-methyl-N-prop-2-enylprop-2-enamide?
The canonical SMILES for N-(5-hydroxypentyl)-2-methyl-N-prop-2-enylprop-2-enamide is C=CCN(CCCCCO)C(=O)C(=C)C.
What is the InChIKey of N-(5-hydroxypentyl)-2-methyl-N-prop-2-enylprop-2-enamide?
The InChIKey is FFWHXRAKUGTANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-8-13(12(15)11(2)3)9-6-5-7-10-14/h4,14H,1-2,5-10H2,3H3.
What are the key properties of N-(5-hydroxypentyl)-2-methyl-N-prop-2-enylprop-2-enamide?
N-(5-hydroxypentyl)-2-methyl-N-prop-2-enylprop-2-enamide has a molecular weight of 211.30 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-2-methyl-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 135140587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).